3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione

C17H12N6O4 — CID 155710312

IUPAC3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cccc4c(Oc5cn[nH]n5)ncc2c34)C(=O)N1
InChIInChI=1S/C17H12N6O4/c24-12-5-4-10(15(25)20-12)23-11-6-18-16(27-13-7-19-22-21-13)8-2-1-3-9(14(8)11)17(23)26/h1-3,6-7,10H,4-5H2,(H,19,21,22)(H,20,24,25)
InChIKeyHWLXLWPOYXGYAB-UHFFFAOYSA-N
MW364.32 g/mol
LogP0.91
Rot. Bonds3

About 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione

3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione (PubChem CID 155710312) has the molecular formula C17H12N6O4 and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
PubChem CID155710312
Molecular FormulaC17H12N6O4
Molecular Weight364.32 g/mol
Exact Mass364.09
IUPAC Name3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cccc4c(Oc5cn[nH]n5)ncc2c34)C(=O)N1
InChIInChI=1S/C17H12N6O4/c24-12-5-4-10(15(25)20-12)23-11-6-18-16(27-13-7-19-22-21-13)8-2-1-3-9(14(8)11)17(23)26/h1-3,6-7,10H,4-5H2,(H,19,21,22)(H,20,24,25)
InChIKeyHWLXLWPOYXGYAB-UHFFFAOYSA-N
XLogP0.91
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[2-oxo-6-(2H-triazol-4-ylsulfanyl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710450
3-[9-[hydroxy(phenyl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710760
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
3-[3-oxo-9-[1-(triazol-1-yl)cyclopropyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710271
3-[2-oxo-6-(pyridin-2-ylamino)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710559
3-[9-[fluoro(1,3-thiazol-5-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710675
3-[9-[amino-(5-sulfanyl-1,3-thiazol-2-yl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 167187631
4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102
3-(7-iodo-3-oxo-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione
CID 163258969
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
3-[5-[methyl(2,2,2-trifluoroethyl)amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258558

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione (CID 155710312) is 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)c3cccc4c(Oc5cn[nH]n5)ncc2c34)C(=O)N1.
What is the InChIKey of 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The InChIKey is HWLXLWPOYXGYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O4/c24-12-5-4-10(15(25)20-12)23-11-6-18-16(27-13-7-19-22-21-13)8-2-1-3-9(14(8)11)17(23)26/h1-3,6-7,10H,4-5H2,(H,19,21,22)(H,20,24,25).
What are the key properties of 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione has a molecular weight of 364.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-9-(2H-triazol-4-yloxy)-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 155710312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).